[4-[(2-carbamimidoyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)oxymethyl]-1-pyridin-4-yl-piperidin-4-yl] hydrogen carbonate

Systemtic Name: [4-[(2-carbamimidoyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)oxymethyl]-1-pyridin-4-yl-piperidin-4-yl] hydrogen carbonate Openeye Name: [4-[(2-carbamimidoyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)oxymethyl]-1-(4-pyridyl)-4-piperidyl] hydrogen carbonate CAS Name: carbonic acid [4-[(2-carbamimidoyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)oxymethyl]-1-pyridin-4-yl-4-piperidinyl] ester IUPAC Name: [4-[(2-carbamimidoyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)oxymethyl]-1-pyridin-4-ylpiperidin-4-yl] hydrogen carbonate Traditional Name: carbonic acid [4-[(2-amidino-1,3,4,5-tetrahydro-2-benzazepin-8-yl)oxymethyl]-1-(4-pyridyl)-4-piperidyl] ester Formula: C23H29N5O4 MolecularWeight: 439.50746

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CN(C1)C(=N)N)C=C(C=C2)OCC3(CCN(CC3)C4=CC=NC=C4)OC(=O)O

Isomeric SMILES

C1CC2=C(CN(C1)C(=N)N)C=C(C=C2)OCC3(CCN(CC3)C4=CC=NC=C4)OC(=O)O

InChI

InChI=1S/C23H29N5O4/c24-21(25)28-11-1-2-17-3-4-20(14-18(17)15-28)31-16-23(32-22(29)30)7-12-27(13-8-23)19-5-9-26-10-6-19/h3-6,9-10,14H,1-2,7-8,11-13,15-16H2,(H3,24,25)(H,29,30)