N-[3-(azepan-1-yl)propyl]-2-[1-oxidanylidene-4-(pyridin-3-ylmethyl)phthalazin-2-yl]ethanamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-[1-oxidanylidene-4-(pyridin-3-ylmethyl)phthalazin-2-yl]ethanamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-[1-oxo-4-(3-pyridylmethyl)phthalazin-2-yl]acetamide CAS Name: N-[3-(1-azepanyl)propyl]-2-[1-oxo-4-(3-pyridinylmethyl)-2-phthalazinyl]acetamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-[1-keto-4-(3-pyridylmethyl)phthalazin-2-yl]acetamide Formula: C25H31N5O2 MolecularWeight: 433.54594

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)CC4=CN=CC=C4

Isomeric SMILES

C1CCCN(CC1)CCCNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)CC4=CN=CC=C4

InChI

InChI=1S/C25H31N5O2/c31-24(27-13-8-16-29-14-5-1-2-6-15-29)19-30-25(32)22-11-4-3-10-21(22)23(28-30)17-20-9-7-12-26-18-20/h3-4,7,9-12,18H,1-2,5-6,8,13-17,19H2,(H,27,31)