N-[3-(azepan-1-yl)propyl]-4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxidanylidene-butanamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxidanylidene-butanamide Openeye Name: N-[3-(azepan-1-yl)propyl]-4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-butanamide CAS Name: N-[3-(1-azepanyl)propyl]-4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanamide Traditional Name: N-[3-(azepan-1-yl)propyl]-4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-keto-butyramide Formula: C21H31N3O3 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCNC(=O)CCC(=O)N2CCOC3=CC=CC=C32

Isomeric SMILES

C1CCCN(CC1)CCCNC(=O)CCC(=O)N2CCOC3=CC=CC=C32

InChI

InChI=1S/C21H31N3O3/c25-20(22-12-7-15-23-13-5-1-2-6-14-23)10-11-21(26)24-16-17-27-19-9-4-3-8-18(19)24/h3-4,8-9H,1-2,5-7,10-17H2,(H,22,25)