N-[(4-carbamimidoylnaphthalen-1-yl)methyl]-1-[2-(cyclohexylamino)ethanoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-[(4-carbamimidoylnaphthalen-1-yl)methyl]-1-[2-(cyclohexylamino)ethanoyl]pyrrolidine-2-carboxamide Openeye Name: N-[(4-carbamimidoyl-1-naphthyl)methyl]-1-[2-(cyclohexylamino)acetyl]pyrrolidine-2-carboxamide CAS Name: N-[(4-carbamimidoyl-1-naphthalenyl)methyl]-1-[2-(cyclohexylamino)-1-oxoethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[(4-carbamimidoylnaphthalen-1-yl)methyl]-1-[2-(cyclohexylamino)acetyl]pyrrolidine-2-carboxamide Traditional Name: N-[(4-amidino-1-naphthyl)methyl]-1-[2-(cyclohexylamino)acetyl]pyrrolidine-2-carboxamide Formula: C25H33N5O2 MolecularWeight: 435.56182

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NCC(=O)N2CCCC2C(=O)NCC3=CC=C(C4=CC=CC=C34)C(=N)N

Isomeric SMILES

C1CCC(CC1)NCC(=O)N2CCCC2C(=O)NCC3=CC=C(C4=CC=CC=C34)C(=N)N

InChI

InChI=1S/C25H33N5O2/c26-24(27)21-13-12-17(19-9-4-5-10-20(19)21)15-29-25(32)22-11-6-14-30(22)23(31)16-28-18-7-2-1-3-8-18/h4-5,9-10,12-13,18,22,28H,1-3,6-8,11,14-16H2,(H3,26,27)(H,29,32)