N-[(2S)-5-methylhexan-2-yl]-12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide

Systemtic Name: N-[(2S)-5-methylhexan-2-yl]-12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Openeye Name: N-[(1S)-1,4-dimethylpentyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide CAS Name: N-[(2S)-5-methylhexan-2-yl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide IUPAC Name: N-[(2S)-5-methylhexan-2-yl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Traditional Name: N-[(1S)-1,4-dimethylpentyl]-12-keto-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Formula: C21H29N3O2 MolecularWeight: 355.47386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N3CCCCCC3=N2

Isomeric SMILES

C[C@@H](CCC(C)C)NC(=O)C1=CC2=C(C=C1)C(=O)N3CCCCCC3=N2

InChI

InChI=1S/C21H29N3O2/c1-14(2)8-9-15(3)22-20(25)16-10-11-17-18(13-16)23-19-7-5-4-6-12-24(19)21(17)26/h10-11,13-15H,4-9,12H2,1-3H3,(H,22,25)/t15-/m0/s1