N-cyclopropyl-12-oxidanylidene-N-[(4-propan-2-ylphenyl)methyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide

Systemtic Name: N-cyclopropyl-12-oxidanylidene-N-[(4-propan-2-ylphenyl)methyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Openeye Name: N-cyclopropyl-N-[(4-isopropylphenyl)methyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide CAS Name: N-cyclopropyl-12-oxo-N-[(4-propan-2-ylphenyl)methyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide IUPAC Name: N-cyclopropyl-12-oxo-N-[(4-propan-2-ylphenyl)methyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Traditional Name: N-cyclopropyl-N-(4-isopropylbenzyl)-12-keto-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Formula: C27H31N3O2 MolecularWeight: 429.55394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN(C2CC2)C(=O)C3=CC4=C(C=C3)C(=O)N5CCCCCC5=N4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN(C2CC2)C(=O)C3=CC4=C(C=C3)C(=O)N5CCCCCC5=N4

InChI

InChI=1S/C27H31N3O2/c1-18(2)20-9-7-19(8-10-20)17-30(22-12-13-22)26(31)21-11-14-23-24(16-21)28-25-6-4-3-5-15-29(25)27(23)32/h7-11,14,16,18,22H,3-6,12-13,15,17H2,1-2H3