9-cyclopentyl-5,7,7-trimethyl-2-(phenethylamino)-8H-pyrimido[4,5-b][1,4]diazepin-6-one

Systemtic Name: 9-cyclopentyl-5,7,7-trimethyl-2-(phenethylamino)-8H-pyrimido[4,5-b][1,4]diazepin-6-one Openeye Name: 9-cyclopentyl-5,7,7-trimethyl-2-(phenethylamino)-8H-pyrimido[4,5-b][1,4]diazepin-6-one CAS Name: 9-cyclopentyl-5,7,7-trimethyl-2-(phenethylamino)-8H-pyrimido[4,5-b][1,4]diazepin-6-one IUPAC Name: 9-cyclopentyl-5,7,7-trimethyl-2-(phenethylamino)-8H-pyrimido[4,5-b][1,4]diazepin-6-one Traditional Name: 9-cyclopentyl-5,7,7-trimethyl-2-(phenethylamino)-8H-pyrimido[4,5-b][1,4]diazepin-6-one Formula: C23H31N5O MolecularWeight: 393.52514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C2=NC(=NC=C2N(C1=O)C)NCCC3=CC=CC=C3)C4CCCC4)C

Isomeric SMILES

CC1(CN(C2=NC(=NC=C2N(C1=O)C)NCCC3=CC=CC=C3)C4CCCC4)C

InChI

InChI=1S/C23H31N5O/c1-23(2)16-28(18-11-7-8-12-18)20-19(27(3)21(23)29)15-25-22(26-20)24-14-13-17-9-5-4-6-10-17/h4-6,9-10,15,18H,7-8,11-14,16H2,1-3H3,(H,24,25,26)