N-[[5-(aminomethyl)-2-oxidanyl-phenyl]methyl]-3-methyl-4-pyrrolidin-1-ylcarbonyl-benzamide

Systemtic Name: N-[[5-(aminomethyl)-2-oxidanyl-phenyl]methyl]-3-methyl-4-pyrrolidin-1-ylcarbonyl-benzamide Openeye Name: N-[[5-(aminomethyl)-2-hydroxy-phenyl]methyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide CAS Name: N-[[5-(aminomethyl)-2-hydroxyphenyl]methyl]-3-methyl-4-[oxo(1-pyrrolidinyl)methyl]benzamide IUPAC Name: N-[[5-(aminomethyl)-2-hydroxyphenyl]methyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide Traditional Name: N-[5-(aminomethyl)-2-hydroxy-benzyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCC2=C(C=CC(=C2)CN)O)C(=O)N3CCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NCC2=C(C=CC(=C2)CN)O)C(=O)N3CCCC3

InChI

InChI=1S/C21H25N3O3/c1-14-10-16(5-6-18(14)21(27)24-8-2-3-9-24)20(26)23-13-17-11-15(12-22)4-7-19(17)25/h4-7,10-11,25H,2-3,8-9,12-13,22H2,1H3,(H,23,26)