1-[(3-carbamimidoylphenyl)methyl]-N-[(1-carbamimidoylpiperidin-4-yl)methyl]-4-methyl-indole-2-carboxamide

Systemtic Name: 1-[(3-carbamimidoylphenyl)methyl]-N-[(1-carbamimidoylpiperidin-4-yl)methyl]-4-methyl-indole-2-carboxamide Openeye Name: 1-[(3-carbamimidoylphenyl)methyl]-N-[(1-carbamimidoyl-4-piperidyl)methyl]-4-methyl-indole-2-carboxamide CAS Name: 1-[(3-carbamimidoylphenyl)methyl]-N-[(1-carbamimidoyl-4-piperidinyl)methyl]-4-methyl-2-indolecarboxamide IUPAC Name: 1-[(3-carbamimidoylphenyl)methyl]-N-[(1-carbamimidoylpiperidin-4-yl)methyl]-4-methylindole-2-carboxamide Traditional Name: 1-(3-amidinobenzyl)-N-[(1-amidino-4-piperidyl)methyl]-4-methyl-indole-2-carboxamide Formula: C25H31N7O MolecularWeight: 445.55994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(N(C2=CC=C1)CC3=CC=CC(=C3)C(=N)N)C(=O)NCC4CCN(CC4)C(=N)N

Isomeric SMILES

CC1=C2C=C(N(C2=CC=C1)CC3=CC=CC(=C3)C(=N)N)C(=O)NCC4CCN(CC4)C(=N)N

InChI

InChI=1S/C25H31N7O/c1-16-4-2-7-21-20(16)13-22(32(21)15-18-5-3-6-19(12-18)23(26)27)24(33)30-14-17-8-10-31(11-9-17)25(28)29/h2-7,12-13,17H,8-11,14-15H2,1H3,(H3,26,27)(H3,28,29)(H,30,33)