7-nitro-5-phenyl-1-[4-(4-phenylpiperazin-1-ium-1-yl)butyl]-3H-1,4-benzodiazepin-2-one

Systemtic Name: 7-nitro-5-phenyl-1-[4-(4-phenylpiperazin-1-ium-1-yl)butyl]-3H-1,4-benzodiazepin-2-one Openeye Name: 7-nitro-5-phenyl-1-[4-(4-phenylpiperazin-1-ium-1-yl)butyl]-3H-1,4-benzodiazepin-2-one CAS Name: 7-nitro-5-phenyl-1-[4-(4-phenyl-1-piperazin-1-iumyl)butyl]-3H-1,4-benzodiazepin-2-one IUPAC Name: 7-nitro-5-phenyl-1-[4-(4-phenylpiperazin-1-ium-1-yl)butyl]-3H-1,4-benzodiazepin-2-one Traditional Name: 7-nitro-5-phenyl-1-[4-(4-phenylpiperazin-1-ium-1-yl)butyl]-3H-1,4-benzodiazepin-2-one Formula: C29H32N5O3+ MolecularWeight: 498.59608

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCCN2C(=O)CN=C(C3=C2C=CC(=C3)[N+](=O)[O-])C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CCCCN2C(=O)CN=C(C3=C2C=CC(=C3)[N+](=O)[O-])C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H31N5O3/c35-28-22-30-29(23-9-3-1-4-10-23)26-21-25(34(36)37)13-14-27(26)33(28)16-8-7-15-31-17-19-32(20-18-31)24-11-5-2-6-12-24/h1-6,9-14,21H,7-8,15-20,22H2/p+1