2-(4,7-dimethyl-2-phenyl-7,8-dihydropyrimido[4,5-b]azepin-9-yl)-N-(phenylmethyl)octanamide

Systemtic Name: 2-(4,7-dimethyl-2-phenyl-7,8-dihydropyrimido[4,5-b]azepin-9-yl)-N-(phenylmethyl)octanamide Openeye Name: N-benzyl-2-(4,7-dimethyl-2-phenyl-7,8-dihydropyrimido[4,5-b]azepin-9-yl)octanamide CAS Name: 2-(4,7-dimethyl-2-phenyl-7,8-dihydropyrimido[4,5-b]azepin-9-yl)-N-(phenylmethyl)octanamide IUPAC Name: N-benzyl-2-(4,7-dimethyl-2-phenyl-7,8-dihydropyrimido[4,5-b]azepin-9-yl)octanamide Traditional Name: N-benzyl-2-(4,7-dimethyl-2-phenyl-7,8-dihydropyrimid[4,5-b]azepin-9-yl)caprylamide Formula: C31H38N4O MolecularWeight: 482.65962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)NCC1=CC=CC=C1)N2CC(C=CC3=C(N=C(N=C32)C4=CC=CC=C4)C)C

Isomeric SMILES

CCCCCCC(C(=O)NCC1=CC=CC=C1)N2CC(C=CC3=C(N=C(N=C32)C4=CC=CC=C4)C)C

InChI

InChI=1S/C31H38N4O/c1-4-5-6-13-18-28(31(36)32-21-25-14-9-7-10-15-25)35-22-23(2)19-20-27-24(3)33-29(34-30(27)35)26-16-11-8-12-17-26/h7-12,14-17,19-20,23,28H,4-6,13,18,21-22H2,1-3H3,(H,32,36)