methyl 4-[[5-(azepan-1-yl)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]indazole-1-carboxylate

Systemtic Name: methyl 4-[[5-(azepan-1-yl)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]indazole-1-carboxylate Openeye Name: methyl 4-[[5-(azepan-1-yl)indan-1-yl]carbamoylamino]indazole-1-carboxylate CAS Name: 4-[[[[5-(1-azepanyl)-2,3-dihydro-1H-inden-1-yl]amino]-oxomethyl]amino]-1-indazolecarboxylic acid methyl ester IUPAC Name: methyl 4-[[5-(azepan-1-yl)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]indazole-1-carboxylate Traditional Name: 4-[[5-(azepan-1-yl)indan-1-yl]carbamoylamino]indazole-1-carboxylic acid methyl ester Formula: C25H29N5O3 MolecularWeight: 447.52946

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1C2=C(C=N1)C(=CC=C2)NC(=O)NC3CCC4=C3C=CC(=C4)N5CCCCCC5

Isomeric SMILES

COC(=O)N1C2=C(C=N1)C(=CC=C2)NC(=O)NC3CCC4=C3C=CC(=C4)N5CCCCCC5

InChI

InChI=1S/C25H29N5O3/c1-33-25(32)30-23-8-6-7-21(20(23)16-26-30)27-24(31)28-22-12-9-17-15-18(10-11-19(17)22)29-13-4-2-3-5-14-29/h6-8,10-11,15-16,22H,2-5,9,12-14H2,1H3,(H2,27,28,31)