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

Systemtic Name: 1-[(3-carbamimidoylphenyl)methyl]-4-methyl-N-[(3-nitrophenyl)methyl]indole-2-carboxamide Openeye Name: 1-[(3-carbamimidoylphenyl)methyl]-4-methyl-N-[(3-nitrophenyl)methyl]indole-2-carboxamide CAS Name: 1-[(3-carbamimidoylphenyl)methyl]-4-methyl-N-[(3-nitrophenyl)methyl]-2-indolecarboxamide IUPAC Name: 1-[(3-carbamimidoylphenyl)methyl]-4-methyl-N-[(3-nitrophenyl)methyl]indole-2-carboxamide Traditional Name: 1-(3-amidinobenzyl)-4-methyl-N-(3-nitrobenzyl)indole-2-carboxamide Formula: C25H23N5O3 MolecularWeight: 441.48182

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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)NCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C=C(N(C2=CC=C1)CC3=CC=CC(=C3)C(=N)N)C(=O)NCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H23N5O3/c1-16-5-2-10-22-21(16)13-23(29(22)15-18-7-3-8-19(11-18)24(26)27)25(31)28-14-17-6-4-9-20(12-17)30(32)33/h2-13H,14-15H2,1H3,(H3,26,27)(H,28,31)