N-butan-2-yl-12-oxidanylidene-N-(phenylmethyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide

Systemtic Name: N-butan-2-yl-12-oxidanylidene-N-(phenylmethyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Openeye Name: N-benzyl-12-oxo-N-sec-butyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide CAS Name: N-butan-2-yl-12-oxo-N-(phenylmethyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide IUPAC Name: N-benzyl-N-butan-2-yl-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Traditional Name: N-benzyl-12-keto-N-sec-butyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Formula: C25H29N3O2 MolecularWeight: 403.51666

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3

Isomeric SMILES

CCC(C)N(CC1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3

InChI

InChI=1S/C25H29N3O2/c1-3-18(2)28(17-19-10-6-4-7-11-19)24(29)20-13-14-21-22(16-20)26-23-12-8-5-9-15-27(23)25(21)30/h4,6-7,10-11,13-14,16,18H,3,5,8-9,12,15,17H2,1-2H3