4-(azepan-1-yl)-6-(3-methoxyphenyl)sulfonyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

Systemtic Name: 4-(azepan-1-yl)-6-(3-methoxyphenyl)sulfonyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine Openeye Name: 4-(azepan-1-yl)-6-(3-methoxyphenyl)sulfonyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine CAS Name: 4-(1-azepanyl)-6-(3-methoxyphenyl)sulfonyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine IUPAC Name: 4-(azepan-1-yl)-6-(3-methoxyphenyl)sulfonyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine Traditional Name: 4-(azepan-1-yl)-6-(3-methoxyphenyl)sulfonyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine Formula: C26H30N4O3S MolecularWeight: 478.6064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)S(=O)(=O)N2CCC3=C(C2)C(=NC(=N3)C4=CC=CC=C4)N5CCCCCC5

Isomeric SMILES

COC1=CC(=CC=C1)S(=O)(=O)N2CCC3=C(C2)C(=NC(=N3)C4=CC=CC=C4)N5CCCCCC5

InChI

InChI=1S/C26H30N4O3S/c1-33-21-12-9-13-22(18-21)34(31,32)30-17-14-24-23(19-30)26(29-15-7-2-3-8-16-29)28-25(27-24)20-10-5-4-6-11-20/h4-6,9-13,18H,2-3,7-8,14-17,19H2,1H3