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

Systemtic Name: N-[(1-carbamimidoylpiperidin-4-yl)methyl]-1-[(3-cyanophenyl)methyl]-4-methyl-indole-2-carboxamide Openeye Name: N-[(1-carbamimidoyl-4-piperidyl)methyl]-1-[(3-cyanophenyl)methyl]-4-methyl-indole-2-carboxamide CAS Name: N-[(1-carbamimidoyl-4-piperidinyl)methyl]-1-[(3-cyanophenyl)methyl]-4-methyl-2-indolecarboxamide IUPAC Name: N-[(1-carbamimidoylpiperidin-4-yl)methyl]-1-[(3-cyanophenyl)methyl]-4-methylindole-2-carboxamide Traditional Name: N-[(1-amidino-4-piperidyl)methyl]-1-(3-cyanobenzyl)-4-methyl-indole-2-carboxamide Formula: C25H28N6O MolecularWeight: 428.52942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N6O/c1-17-4-2-7-22-21(17)13-23(31(22)16-20-6-3-5-19(12-20)14-26)24(32)29-15-18-8-10-30(11-9-18)25(27)28/h2-7,12-13,18H,8-11,15-16H2,1H3,(H3,27,28)(H,29,32)