(phenylmethyl) N-[1-[2-[(1-carbamimidoylpiperidin-4-yl)methylamino]-2-oxidanylidene-ethyl]-6-methyl-2-oxidanylidene-pyridin-3-yl]carbamate

Systemtic Name: (phenylmethyl) N-[1-[2-[(1-carbamimidoylpiperidin-4-yl)methylamino]-2-oxidanylidene-ethyl]-6-methyl-2-oxidanylidene-pyridin-3-yl]carbamate Openeye Name: benzyl N-[1-[2-[(1-carbamimidoyl-4-piperidyl)methylamino]-2-oxo-ethyl]-6-methyl-2-oxo-3-pyridyl]carbamate CAS Name: N-[1-[2-[(1-carbamimidoyl-4-piperidinyl)methylamino]-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-[2-[(1-carbamimidoylpiperidin-4-yl)methylamino]-2-oxoethyl]-6-methyl-2-oxopyridin-3-yl]carbamate Traditional Name: N-[1-[2-[(1-amidino-4-piperidyl)methylamino]-2-keto-ethyl]-2-keto-6-methyl-3-pyridyl]carbamic acid benzyl ester Formula: C23H30N6O4 MolecularWeight: 454.5221

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C(=O)N1CC(=O)NCC2CCN(CC2)C(=N)N)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C(=O)N1CC(=O)NCC2CCN(CC2)C(=N)N)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H30N6O4/c1-16-7-8-19(27-23(32)33-15-18-5-3-2-4-6-18)21(31)29(16)14-20(30)26-13-17-9-11-28(12-10-17)22(24)25/h2-8,17H,9-15H2,1H3,(H3,24,25)(H,26,30)(H,27,32)