2-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidin-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidin-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-piperidyl]acetamide CAS Name: 2-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-piperidinyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidin-1-yl]acetamide Traditional Name: 2-[4-[(2-amidino-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidino]-N-benzyl-acetamide Formula: C25H33N5O2 MolecularWeight: 435.56182

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1COC2=CC3=C(CCN(C3)C(=N)N)C=C2)CC(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1COC2=CC3=C(CCN(C3)C(=N)N)C=C2)CC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C25H33N5O2/c26-25(27)30-13-10-21-6-7-23(14-22(21)16-30)32-18-20-8-11-29(12-9-20)17-24(31)28-15-19-4-2-1-3-5-19/h1-7,14,20H,8-13,15-18H2,(H3,26,27)(H,28,31)