3-[bis[2-(4-nitrophenoxy)ethyl]amino]-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one hydrochloride

Systemtic Name: 3-[bis[2-(4-nitrophenoxy)ethyl]amino]-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one hydrochloride Openeye Name: 3-[bis[2-(4-nitrophenoxy)ethyl]amino]-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one hydrochloride CAS Name: 3-[bis[2-(4-nitrophenoxy)ethyl]amino]-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one hydrochloride IUPAC Name: 3-[bis[2-(4-nitrophenoxy)ethyl]amino]-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one hydrochloride Traditional Name: 3-[bis[2-(4-nitrophenoxy)ethyl]amino]-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one hydrochloride Formula: C32H30ClN5O7 MolecularWeight: 632.0629

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)N(CCOC3=CC=C(C=C3)[N+](=O)[O-])CCOC4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5.Cl

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)N(CCOC3=CC=C(C=C3)[N+](=O)[O-])CCOC4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5.Cl

InChI

InChI=1S/C32H29N5O7.ClH/c1-34-29-10-6-5-9-28(29)30(23-7-3-2-4-8-23)33-31(32(34)38)35(19-21-43-26-15-11-24(12-16-26)36(39)40)20-22-44-27-17-13-25(14-18-27)37(41)42;/h2-18,31H,19-22H2,1H3;1H