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

Systemtic Name: [7-chloranyl-1-[2-methoxy-4-[(2-methylphenyl)carbonylamino]phenyl]carbonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl] 2,6-bis(azanyl)hexanoate hydrochloride Openeye Name: [7-chloro-1-[2-methoxy-4-[(2-methylbenzoyl)amino]benzoyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl] 2,6-diaminohexanoate hydrochloride CAS Name: 2,6-diaminohexanoic acid [7-chloro-1-[[2-methoxy-4-[[(2-methylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl] ester hydrochloride IUPAC Name: [7-chloro-1-[2-methoxy-4-[(2-methylbenzoyl)amino]benzoyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl] 2,6-diaminohexanoate hydrochloride Traditional Name: 2,6-diaminohexanoic acid [7-chloro-1-[2-methoxy-4-(o-toluoylamino)benzoyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl] ester hydrochloride Formula: C32H38Cl2N4O5 MolecularWeight: 629.57392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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