5-(2-chlorophenyl)-1-(2-diethylaminoethyl)-3,3-dimethyl-7-nitro-1,4-benzodiazepin-2-one

Systemtic Name: 5-(2-chlorophenyl)-1-(2-diethylaminoethyl)-3,3-dimethyl-7-nitro-1,4-benzodiazepin-2-one Openeye Name: 5-(2-chlorophenyl)-1-(2-diethylaminoethyl)-3,3-dimethyl-7-nitro-1,4-benzodiazepin-2-one CAS Name: 5-(2-chlorophenyl)-1-(2-diethylaminoethyl)-3,3-dimethyl-7-nitro-1,4-benzodiazepin-2-one IUPAC Name: 5-(2-chlorophenyl)-1-(2-diethylaminoethyl)-3,3-dimethyl-7-nitro-1,4-benzodiazepin-2-one Traditional Name: 5-(2-chlorophenyl)-1-(2-diethylaminoethyl)-3,3-dimethyl-7-nitro-1,4-benzodiazepin-2-one Formula: C23H27ClN4O3 MolecularWeight: 442.93848

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=NC(C1=O)(C)C)C3=CC=CC=C3Cl

Isomeric SMILES

CCN(CC)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=NC(C1=O)(C)C)C3=CC=CC=C3Cl

InChI

InChI=1S/C23H27ClN4O3/c1-5-26(6-2)13-14-27-20-12-11-16(28(30)31)15-18(20)21(25-23(3,4)22(27)29)17-9-7-8-10-19(17)24/h7-12,15H,5-6,13-14H2,1-4H3