methyl 3-[[1-methyl-4-(phenylmethyl)-1,4-diazepan-6-yl]carbamoyl]indazole-1-carboxylate

Systemtic Name: methyl 3-[[1-methyl-4-(phenylmethyl)-1,4-diazepan-6-yl]carbamoyl]indazole-1-carboxylate Openeye Name: methyl 3-[(1-benzyl-4-methyl-1,4-diazepan-6-yl)carbamoyl]indazole-1-carboxylate CAS Name: 3-[[[1-methyl-4-(phenylmethyl)-1,4-diazepan-6-yl]amino]-oxomethyl]-1-indazolecarboxylic acid methyl ester IUPAC Name: methyl 3-[(1-benzyl-4-methyl-1,4-diazepan-6-yl)carbamoyl]indazole-1-carboxylate Traditional Name: 3-[(1-benzyl-4-methyl-1,4-diazepan-6-yl)carbamoyl]indazole-1-carboxylic acid methyl ester Formula: C23H27N5O3 MolecularWeight: 421.49218

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC(C1)NC(=O)C2=NN(C3=CC=CC=C32)C(=O)OC)CC4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC(C1)NC(=O)C2=NN(C3=CC=CC=C32)C(=O)OC)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N5O3/c1-26-12-13-27(14-17-8-4-3-5-9-17)16-18(15-26)24-22(29)21-19-10-6-7-11-20(19)28(25-21)23(30)31-2/h3-11,18H,12-16H2,1-2H3,(H,24,29)