N-[2-[4-(3-azanylpropanoylamino)butoxy]-4-methyl-phenyl]-4-[[2-(3-azanylpropoxy)phenyl]carbonylamino]-3-methoxy-N-methyl-benzamide dihydrochloride

Systemtic Name: N-[2-[4-(3-azanylpropanoylamino)butoxy]-4-methyl-phenyl]-4-[[2-(3-azanylpropoxy)phenyl]carbonylamino]-3-methoxy-N-methyl-benzamide dihydrochloride Openeye Name: N-[2-[4-(3-aminopropanoylamino)butoxy]-4-methyl-phenyl]-4-[[2-(3-aminopropoxy)benzoyl]amino]-3-methoxy-N-methyl-benzamide dihydrochloride CAS Name: N-[2-[4-[(3-amino-1-oxopropyl)amino]butoxy]-4-methylphenyl]-4-[[[2-(3-aminopropoxy)phenyl]-oxomethyl]amino]-3-methoxy-N-methylbenzamide dihydrochloride IUPAC Name: N-[2-[4-(3-aminopropanoylamino)butoxy]-4-methylphenyl]-4-[[2-(3-aminopropoxy)benzoyl]amino]-3-methoxy-N-methylbenzamide dihydrochloride Traditional Name: N-[2-[4-(3-aminopropanoylamino)butoxy]-4-methyl-phenyl]-4-[[2-(3-aminopropoxy)benzoyl]amino]-3-methoxy-N-methyl-benzamide dihydrochloride Formula: C33H45Cl2N5O6 MolecularWeight: 678.6463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(C)C(=O)C2=CC(=C(C=C2)NC(=O)C3=CC=CC=C3OCCCN)OC)OCCCCNC(=O)CCN.Cl.Cl

Isomeric SMILES

CC1=CC(=C(C=C1)N(C)C(=O)C2=CC(=C(C=C2)NC(=O)C3=CC=CC=C3OCCCN)OC)OCCCCNC(=O)CCN.Cl.Cl

InChI

InChI=1S/C33H43N5O6.2ClH/c1-23-11-14-27(30(21-23)44-19-7-6-18-36-31(39)15-17-35)38(2)33(41)24-12-13-26(29(22-24)42-3)37-32(40)25-9-4-5-10-28(25)43-20-8-16-34;;/h4-5,9-14,21-22H,6-8,15-20,34-35H2,1-3H3,(H,36,39)(H,37,40);2*1H