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

Systemtic Name: 7-chloranyl-5-phenyl-1-[3-(3-phenylpiperazin-1-yl)propyl]-3H-1,4-benzodiazepin-2-one Openeye Name: 7-chloro-5-phenyl-1-[3-(3-phenylpiperazin-1-yl)propyl]-3H-1,4-benzodiazepin-2-one CAS Name: 7-chloro-5-phenyl-1-[3-(3-phenyl-1-piperazinyl)propyl]-3H-1,4-benzodiazepin-2-one IUPAC Name: 7-chloro-5-phenyl-1-[3-(3-phenylpiperazin-1-yl)propyl]-3H-1,4-benzodiazepin-2-one Traditional Name: 7-chloro-5-phenyl-1-[3-(3-phenylpiperazino)propyl]-3H-1,4-benzodiazepin-2-one Formula: C28H29ClN4O MolecularWeight: 473.00906

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)C2=CC=CC=C2)CCCN3C(=O)CN=C(C4=C3C=CC(=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC(N1)C2=CC=CC=C2)CCCN3C(=O)CN=C(C4=C3C=CC(=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C28H29ClN4O/c29-23-12-13-26-24(18-23)28(22-10-5-2-6-11-22)31-19-27(34)33(26)16-7-15-32-17-14-30-25(20-32)21-8-3-1-4-9-21/h1-6,8-13,18,25,30H,7,14-17,19-20H2