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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Traditional Name: N-cyclopentyl-12-keto-N-piperonyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=CC(=C3)C(=O)N(CC4=CC5=C(C=C4)OCO5)C6CCCC6)C(=O)N2CC1

Isomeric SMILES

C1CCC2=NC3=C(C=CC(=C3)C(=O)N(CC4=CC5=C(C=C4)OCO5)C6CCCC6)C(=O)N2CC1

InChI

InChI=1S/C27H29N3O4/c31-26(19-10-11-21-22(15-19)28-25-8-2-1-5-13-29(25)27(21)32)30(20-6-3-4-7-20)16-18-9-12-23-24(14-18)34-17-33-23/h9-12,14-15,20H,1-8,13,16-17H2