methyl N-[3-[[4-(aminomethyl)phenyl]carbamoyl]-7-carbamimidoyl-naphthalen-1-yl]carbamate

Systemtic Name: methyl N-[3-[[4-(aminomethyl)phenyl]carbamoyl]-7-carbamimidoyl-naphthalen-1-yl]carbamate Openeye Name: methyl N-[3-[[4-(aminomethyl)phenyl]carbamoyl]-7-carbamimidoyl-1-naphthyl]carbamate CAS Name: N-[3-[[4-(aminomethyl)anilino]-oxomethyl]-7-carbamimidoyl-1-naphthalenyl]carbamic acid methyl ester IUPAC Name: methyl N-[3-[[4-(aminomethyl)phenyl]carbamoyl]-7-carbamimidoylnaphthalen-1-yl]carbamate Traditional Name: N-[7-amidino-3-[[4-(aminomethyl)phenyl]carbamoyl]-1-naphthyl]carbamic acid methyl ester Formula: C21H21N5O3 MolecularWeight: 391.42314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=C2C=C(C=CC2=CC(=C1)C(=O)NC3=CC=C(C=C3)CN)C(=N)N

Isomeric SMILES

COC(=O)NC1=C2C=C(C=CC2=CC(=C1)C(=O)NC3=CC=C(C=C3)CN)C(=N)N

InChI

InChI=1S/C21H21N5O3/c1-29-21(28)26-18-10-15(8-13-4-5-14(19(23)24)9-17(13)18)20(27)25-16-6-2-12(11-22)3-7-16/h2-10H,11,22H2,1H3,(H3,23,24)(H,25,27)(H,26,28)