4-[(9-cyclopentyl-5-methyl-6-oxidanylidene-7-prop-2-ynyl-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-[(3R)-piperidin-3-yl]benzamide

Systemtic Name: 4-[(9-cyclopentyl-5-methyl-6-oxidanylidene-7-prop-2-ynyl-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-[(3R)-piperidin-3-yl]benzamide Openeye Name: 4-[(9-cyclopentyl-5-methyl-6-oxo-7-prop-2-ynyl-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-[(3R)-3-piperidyl]benzamide CAS Name: 4-[(9-cyclopentyl-5-methyl-6-oxo-7-prop-2-ynyl-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-[(3R)-3-piperidinyl]benzamide IUPAC Name: 4-[(9-cyclopentyl-5-methyl-6-oxo-7-prop-2-ynyl-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-[(3R)-piperidin-3-yl]benzamide Traditional Name: 4-[(9-cyclopentyl-6-keto-5-methyl-7-propargyl-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-[(3R)-3-piperidyl]benzamide Formula: C29H37N7O3 MolecularWeight: 531.64918

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CN=C(N=C2N(CC(C1=O)CC#C)C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCCNC5)OC

Isomeric SMILES

CN1C2=CN=C(N=C2N(CC(C1=O)CC#C)C3CCCC3)NC4=C(C=C(C=C4)C(=O)N[C@@H]5CCCNC5)OC

InChI

InChI=1S/C29H37N7O3/c1-4-8-20-18-36(22-10-5-6-11-22)26-24(35(2)28(20)38)17-31-29(34-26)33-23-13-12-19(15-25(23)39-3)27(37)32-21-9-7-14-30-16-21/h1,12-13,15,17,20-22,30H,5-11,14,16,18H2,2-3H3,(H,32,37)(H,31,33,34)/t20?,21-/m1/s1