(1-pyridin-4-ylpiperidin-4-yl)methyl 2-carbamimidoyl-1,3,4,5-tetrahydro-2-benzazepine-8-carboxylate

Systemtic Name: (1-pyridin-4-ylpiperidin-4-yl)methyl 2-carbamimidoyl-1,3,4,5-tetrahydro-2-benzazepine-8-carboxylate Openeye Name: [1-(4-pyridyl)-4-piperidyl]methyl 2-carbamimidoyl-1,3,4,5-tetrahydro-2-benzazepine-8-carboxylate CAS Name: 2-carbamimidoyl-1,3,4,5-tetrahydro-2-benzazepine-8-carboxylic acid (1-pyridin-4-yl-4-piperidinyl)methyl ester IUPAC Name: (1-pyridin-4-ylpiperidin-4-yl)methyl 2-carbamimidoyl-1,3,4,5-tetrahydro-2-benzazepine-8-carboxylate Traditional Name: 2-amidino-1,3,4,5-tetrahydro-2-benzazepine-8-carboxylic acid [1-(4-pyridyl)-4-piperidyl]methyl ester Formula: C23H29N5O2 MolecularWeight: 407.50866

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CN(C1)C(=N)N)C=C(C=C2)C(=O)OCC3CCN(CC3)C4=CC=NC=C4

Isomeric SMILES

C1CC2=C(CN(C1)C(=N)N)C=C(C=C2)C(=O)OCC3CCN(CC3)C4=CC=NC=C4

InChI

InChI=1S/C23H29N5O2/c24-23(25)28-11-1-2-18-3-4-19(14-20(18)15-28)22(29)30-16-17-7-12-27(13-8-17)21-5-9-26-10-6-21/h3-6,9-10,14,17H,1-2,7-8,11-13,15-16H2,(H3,24,25)