4-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]-2-methyl-N-pyrrolidin-3-yl-benzamide

Systemtic Name: 4-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]-2-methyl-N-pyrrolidin-3-yl-benzamide Openeye Name: 4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-2-methyl-N-pyrrolidin-3-yl-benzamide CAS Name: 4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-2-methyl-N-(3-pyrrolidinyl)benzamide IUPAC Name: 4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-2-methyl-N-pyrrolidin-3-ylbenzamide Traditional Name: 4-[3-(4-amidinoanilino)prop-1-ynyl]-2-methyl-N-pyrrolidin-3-yl-benzamide Formula: C22H25N5O MolecularWeight: 375.4668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#CCNC2=CC=C(C=C2)C(=N)N)C(=O)NC3CCNC3

Isomeric SMILES

CC1=C(C=CC(=C1)C#CCNC2=CC=C(C=C2)C(=N)N)C(=O)NC3CCNC3

InChI

InChI=1S/C22H25N5O/c1-15-13-16(4-9-20(15)22(28)27-19-10-12-25-14-19)3-2-11-26-18-7-5-17(6-8-18)21(23)24/h4-9,13,19,25-26H,10-12,14H2,1H3,(H3,23,24)(H,27,28)