7-chloranyl-1-(1-phenethylpiperidin-4-yl)-5-phenyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 7-chloranyl-1-(1-phenethylpiperidin-4-yl)-5-phenyl-3H-1,4-benzodiazepin-2-one Openeye Name: 7-chloro-1-(1-phenethyl-4-piperidyl)-5-phenyl-3H-1,4-benzodiazepin-2-one CAS Name: 7-chloro-1-(1-phenethyl-4-piperidinyl)-5-phenyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 7-chloro-1-(1-phenethylpiperidin-4-yl)-5-phenyl-3H-1,4-benzodiazepin-2-one Traditional Name: 7-chloro-1-(1-phenethyl-4-piperidyl)-5-phenyl-3H-1,4-benzodiazepin-2-one Formula: C28H28ClN3O MolecularWeight: 457.99442

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4)CCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1N2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4)CCC5=CC=CC=C5

InChI

InChI=1S/C28H28ClN3O/c29-23-11-12-26-25(19-23)28(22-9-5-2-6-10-22)30-20-27(33)32(26)24-14-17-31(18-15-24)16-13-21-7-3-1-4-8-21/h1-12,19,24H,13-18,20H2