4-azanyl-8-cyclopentyl-6-(4-phenoxyphenyl)-7H-pyrimido[5,4-e][1,4]diazepin-9-one

Systemtic Name: 4-azanyl-8-cyclopentyl-6-(4-phenoxyphenyl)-7H-pyrimido[5,4-e][1,4]diazepin-9-one Openeye Name: 4-amino-8-cyclopentyl-6-(4-phenoxyphenyl)-7H-pyrimido[5,4-e][1,4]diazepin-9-one CAS Name: 4-amino-8-cyclopentyl-6-(4-phenoxyphenyl)-7H-pyrimido[5,4-e][1,4]diazepin-9-one IUPAC Name: 4-amino-8-cyclopentyl-6-(4-phenoxyphenyl)-7H-pyrimido[5,4-e][1,4]diazepin-9-one Traditional Name: 4-amino-8-cyclopentyl-6-(4-phenoxyphenyl)-7H-pyrimido[5,4-e][1,4]diazepin-9-one Formula: C24H23N5O2 MolecularWeight: 413.47172

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2CC(=NC3=C(C2=O)N=CN=C3N)C4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)N2CC(=NC3=C(C2=O)N=CN=C3N)C4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C24H23N5O2/c25-23-21-22(26-15-27-23)24(30)29(17-6-4-5-7-17)14-20(28-21)16-10-12-19(13-11-16)31-18-8-2-1-3-9-18/h1-3,8-13,15,17H,4-7,14H2,(H2,25,26,27)