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

Systemtic Name: 7-methyl-5-phenyl-1-[4-(4-phenylpiperazin-1-ium-1-yl)butyl]-3H-1,4-benzodiazepin-2-one Openeye Name: 7-methyl-5-phenyl-1-[4-(4-phenylpiperazin-1-ium-1-yl)butyl]-3H-1,4-benzodiazepin-2-one CAS Name: 7-methyl-5-phenyl-1-[4-(4-phenyl-1-piperazin-1-iumyl)butyl]-3H-1,4-benzodiazepin-2-one IUPAC Name: 7-methyl-5-phenyl-1-[4-(4-phenylpiperazin-1-ium-1-yl)butyl]-3H-1,4-benzodiazepin-2-one Traditional Name: 7-methyl-5-phenyl-1-[4-(4-phenylpiperazin-1-ium-1-yl)butyl]-3H-1,4-benzodiazepin-2-one Formula: C30H35N4O+ MolecularWeight: 467.6251

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)CN=C2C3=CC=CC=C3)CCCC[NH+]4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)CN=C2C3=CC=CC=C3)CCCC[NH+]4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C30H34N4O/c1-24-14-15-28-27(22-24)30(25-10-4-2-5-11-25)31-23-29(35)34(28)17-9-8-16-32-18-20-33(21-19-32)26-12-6-3-7-13-26/h2-7,10-15,22H,8-9,16-21,23H2,1H3/p+1