[7-chloranyl-1-[3-methoxy-4-[(2-methylphenyl)carbonylamino]phenyl]carbonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl] 2,6-bis(azanyl)hexanoate dihydrochloride

Systemtic Name: [7-chloranyl-1-[3-methoxy-4-[(2-methylphenyl)carbonylamino]phenyl]carbonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl] 2,6-bis(azanyl)hexanoate dihydrochloride Openeye Name: [7-chloro-1-[3-methoxy-4-[(2-methylbenzoyl)amino]benzoyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl] 2,6-diaminohexanoate dihydrochloride CAS Name: 2,6-diaminohexanoic acid [7-chloro-1-[[3-methoxy-4-[[(2-methylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl] ester dihydrochloride IUPAC Name: [7-chloro-1-[3-methoxy-4-[(2-methylbenzoyl)amino]benzoyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl] 2,6-diaminohexanoate dihydrochloride Traditional Name: 2,6-diaminohexanoic acid [7-chloro-1-[3-methoxy-4-(o-toluoylamino)benzoyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl] ester dihydrochloride Formula: C32H39Cl3N4O5 MolecularWeight: 666.03486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=C(C=C(C=C2)C(=O)N3CCCC(C4=C3C=CC(=C4)Cl)OC(=O)C(CCCCN)N)OC.Cl.Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=C(C=C(C=C2)C(=O)N3CCCC(C4=C3C=CC(=C4)Cl)OC(=O)C(CCCCN)N)OC.Cl.Cl

InChI

InChI=1S/C32H37ClN4O5.2ClH/c1-20-8-3-4-9-23(20)30(38)36-26-14-12-21(18-29(26)41-2)31(39)37-17-7-11-28(24-19-22(33)13-15-27(24)37)42-32(40)25(35)10-5-6-16-34;;/h3-4,8-9,12-15,18-19,25,28H,5-7,10-11,16-17,34-35H2,1-2H3,(H,36,38);2*1H