N-[4-(azepan-1-yl)phenyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-butanamide CAS Name: N-[4-(1-azepanyl)phenyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-butyramide Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CCC(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CCC(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C25H30N2O4/c28-22(19-6-12-23-24(18-19)31-17-5-16-30-23)11-13-25(29)26-20-7-9-21(10-8-20)27-14-3-1-2-4-15-27/h6-10,12,18H,1-5,11,13-17H2,(H,26,29)