3-azanyl-N-butyl-5-[3-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxidanylidene-ethyl]-1-(propan-2-ylamino)pyrazol-4-yl]benzamide

Systemtic Name: 3-azanyl-N-butyl-5-[3-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxidanylidene-ethyl]-1-(propan-2-ylamino)pyrazol-4-yl]benzamide Openeye Name: 3-amino-N-butyl-5-[3-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxo-ethyl]-1-(isopropylamino)pyrazol-4-yl]benzamide CAS Name: 3-amino-N-butyl-5-[3-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxoethyl]-1-(propan-2-ylamino)-4-pyrazolyl]benzamide IUPAC Name: 3-amino-N-butyl-5-[3-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxoethyl]-1-(propan-2-ylamino)pyrazol-4-yl]benzamide Traditional Name: 3-[3-[2-[(4-amidinobenzyl)amino]-2-keto-ethyl]-1-(isopropylamino)pyrazol-4-yl]-5-amino-N-butyl-benzamide Formula: C27H36N8O2 MolecularWeight: 504.62714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC(=CC(=C1)C2=CN(N=C2CC(=O)NCC3=CC=C(C=C3)C(=N)N)NC(C)C)N

Isomeric SMILES

CCCCNC(=O)C1=CC(=CC(=C1)C2=CN(N=C2CC(=O)NCC3=CC=C(C=C3)C(=N)N)NC(C)C)N

InChI

InChI=1S/C27H36N8O2/c1-4-5-10-31-27(37)21-11-20(12-22(28)13-21)23-16-35(33-17(2)3)34-24(23)14-25(36)32-15-18-6-8-19(9-7-18)26(29)30/h6-9,11-13,16-17,33H,4-5,10,14-15,28H2,1-3H3,(H3,29,30)(H,31,37)(H,32,36)