2-cyclopropyl-2-(4-methyl-2-phenyl-7,8-dihydropyrimido[4,5-b]azepin-9-yl)-N-(phenylmethyl)ethanamide

Systemtic Name: 2-cyclopropyl-2-(4-methyl-2-phenyl-7,8-dihydropyrimido[4,5-b]azepin-9-yl)-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-cyclopropyl-2-(4-methyl-2-phenyl-7,8-dihydropyrimido[4,5-b]azepin-9-yl)acetamide CAS Name: 2-cyclopropyl-2-(4-methyl-2-phenyl-7,8-dihydropyrimido[4,5-b]azepin-9-yl)-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-cyclopropyl-2-(4-methyl-2-phenyl-7,8-dihydropyrimido[4,5-b]azepin-9-yl)acetamide Traditional Name: N-benzyl-2-cyclopropyl-2-(4-methyl-2-phenyl-7,8-dihydropyrimid[4,5-b]azepin-9-yl)acetamide Formula: C27H28N4O MolecularWeight: 424.53742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CCCN(C2=NC(=N1)C3=CC=CC=C3)C(C4CC4)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

CC1=C2C=CCCN(C2=NC(=N1)C3=CC=CC=C3)C(C4CC4)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C27H28N4O/c1-19-23-14-8-9-17-31(26(23)30-25(29-19)22-12-6-3-7-13-22)24(21-15-16-21)27(32)28-18-20-10-4-2-5-11-20/h2-8,10-14,21,24H,9,15-18H2,1H3,(H,28,32)