(phenylmethyl) 3-[[4-methyl-1-(phenylmethyl)-3,5-dihydro-2H-1,4-diazepin-6-yl]carbamoyl]indazole-1-carboxylate

Systemtic Name: (phenylmethyl) 3-[[4-methyl-1-(phenylmethyl)-3,5-dihydro-2H-1,4-diazepin-6-yl]carbamoyl]indazole-1-carboxylate Openeye Name: benzyl 3-[(1-benzyl-4-methyl-3,5-dihydro-2H-1,4-diazepin-6-yl)carbamoyl]indazole-1-carboxylate CAS Name: 3-[[[4-methyl-1-(phenylmethyl)-3,5-dihydro-2H-1,4-diazepin-6-yl]amino]-oxomethyl]-1-indazolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[(1-benzyl-4-methyl-3,5-dihydro-2H-1,4-diazepin-6-yl)carbamoyl]indazole-1-carboxylate Traditional Name: 3-[(1-benzyl-4-methyl-3,5-dihydro-2H-1,4-diazepin-6-yl)carbamoyl]indazole-1-carboxylic acid benzyl ester Formula: C29H29N5O3 MolecularWeight: 495.57226

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(C=C(C1)NC(=O)C2=NN(C3=CC=CC=C32)C(=O)OCC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CN1CCN(C=C(C1)NC(=O)C2=NN(C3=CC=CC=C32)C(=O)OCC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C29H29N5O3/c1-32-16-17-33(18-22-10-4-2-5-11-22)20-24(19-32)30-28(35)27-25-14-8-9-15-26(25)34(31-27)29(36)37-21-23-12-6-3-7-13-23/h2-15,20H,16-19,21H2,1H3,(H,30,35)