N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-yl-phenyl)-12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide

Systemtic Name: N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-yl-phenyl)-12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Openeye Name: N-[5-morpholinosulfonyl-2-(1-piperidyl)phenyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide CAS Name: N-[5-(4-morpholinylsulfonyl)-2-(1-piperidinyl)phenyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide IUPAC Name: N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Traditional Name: 12-keto-N-(5-morpholinosulfonyl-2-piperidino-phenyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Formula: C29H35N5O5S MolecularWeight: 565.6837

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=CC(=C3)C(=O)NC4=C(C=CC(=C4)S(=O)(=O)N5CCOCC5)N6CCCCC6)C(=O)N2CC1

Isomeric SMILES

C1CCC2=NC3=C(C=CC(=C3)C(=O)NC4=C(C=CC(=C4)S(=O)(=O)N5CCOCC5)N6CCCCC6)C(=O)N2CC1

InChI

InChI=1S/C29H35N5O5S/c35-28(21-8-10-23-24(19-21)30-27-7-3-1-6-14-34(27)29(23)36)31-25-20-22(40(37,38)33-15-17-39-18-16-33)9-11-26(25)32-12-4-2-5-13-32/h8-11,19-20H,1-7,12-18H2,(H,31,35)