4-azanyl-8-cyclopentyl-6-(4-phenoxyphenyl)-7H-pyrimido[4,5-c]azepin-9-one

Systemtic Name: 4-azanyl-8-cyclopentyl-6-(4-phenoxyphenyl)-7H-pyrimido[4,5-c]azepin-9-one Openeye Name: 4-amino-8-cyclopentyl-6-(4-phenoxyphenyl)-7H-pyrimido[4,5-c]azepin-9-one CAS Name: 4-amino-8-cyclopentyl-6-(4-phenoxyphenyl)-7H-pyrimido[4,5-c]azepin-9-one IUPAC Name: 4-amino-8-cyclopentyl-6-(4-phenoxyphenyl)-7H-pyrimido[4,5-c]azepin-9-one Traditional Name: 4-amino-8-cyclopentyl-6-(4-phenoxyphenyl)-7H-pyrimid[4,5-c]azepin-9-one Formula: C25H24N4O2 MolecularWeight: 412.48366

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2CC(=CC3=C(C2=O)N=CN=C3N)C4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)N2CC(=CC3=C(C2=O)N=CN=C3N)C4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C25H24N4O2/c26-24-22-14-18(17-10-12-21(13-11-17)31-20-8-2-1-3-9-20)15-29(19-6-4-5-7-19)25(30)23(22)27-16-28-24/h1-3,8-14,16,19H,4-7,15H2,(H2,26,27,28)