N-chrysen-6-yl-4-(3-methyl-1,3-diazinan-1-yl)-4-oxidanylidene-butanamide

Systemtic Name: N-chrysen-6-yl-4-(3-methyl-1,3-diazinan-1-yl)-4-oxidanylidene-butanamide Openeye Name: N-chrysen-6-yl-4-(3-methylhexahydropyrimidin-1-yl)-4-oxo-butanamide CAS Name: N-(6-chrysenyl)-4-(3-methyl-1,3-diazinan-1-yl)-4-oxobutanamide IUPAC Name: N-chrysen-6-yl-4-(3-methyl-1,3-diazinan-1-yl)-4-oxobutanamide Traditional Name: N-chrysen-6-yl-4-keto-4-(3-methylhexahydropyrimidin-1-yl)butyramide Formula: C27H27N3O2 MolecularWeight: 425.52218

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(C1)C(=O)CCC(=O)NC2=CC3=C(C=CC4=CC=CC=C43)C5=CC=CC=C52

Isomeric SMILES

CN1CCCN(C1)C(=O)CCC(=O)NC2=CC3=C(C=CC4=CC=CC=C43)C5=CC=CC=C52

InChI

InChI=1S/C27H27N3O2/c1-29-15-6-16-30(18-29)27(32)14-13-26(31)28-25-17-24-20-8-3-2-7-19(20)11-12-22(24)21-9-4-5-10-23(21)25/h2-5,7-12,17H,6,13-16,18H2,1H3,(H,28,31)