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

Systemtic Name: 7-chloranyl-5-phenyl-1-[4-(4-phenylpiperazin-1-ium-1-yl)butyl]-3H-1,4-benzodiazepin-2-one Openeye Name: 7-chloro-5-phenyl-1-[4-(4-phenylpiperazin-1-ium-1-yl)butyl]-3H-1,4-benzodiazepin-2-one CAS Name: 7-chloro-5-phenyl-1-[4-(4-phenyl-1-piperazin-1-iumyl)butyl]-3H-1,4-benzodiazepin-2-one IUPAC Name: 7-chloro-5-phenyl-1-[4-(4-phenylpiperazin-1-ium-1-yl)butyl]-3H-1,4-benzodiazepin-2-one Traditional Name: 7-chloro-5-phenyl-1-[4-(4-phenylpiperazin-1-ium-1-yl)butyl]-3H-1,4-benzodiazepin-2-one Formula: C29H32ClN4O+ MolecularWeight: 488.04358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31ClN4O/c30-24-13-14-27-26(21-24)29(23-9-3-1-4-10-23)31-22-28(35)34(27)16-8-7-15-32-17-19-33(20-18-32)25-11-5-2-6-12-25/h1-6,9-14,21H,7-8,15-20,22H2/p+1