N-[3-[(2-azanyl-3H-benzimidazol-5-yl)amino]-1-(3-ethoxyphenyl)-2-oxidanyl-3-oxidanylidene-propyl]-4-propan-2-yl-benzamide

Systemtic Name: N-[3-[(2-azanyl-3H-benzimidazol-5-yl)amino]-1-(3-ethoxyphenyl)-2-oxidanyl-3-oxidanylidene-propyl]-4-propan-2-yl-benzamide Openeye Name: N-[3-[(2-amino-3H-benzimidazol-5-yl)amino]-1-(3-ethoxyphenyl)-2-hydroxy-3-oxo-propyl]-4-isopropyl-benzamide CAS Name: N-[3-[(2-amino-3H-benzimidazol-5-yl)amino]-1-(3-ethoxyphenyl)-2-hydroxy-3-oxopropyl]-4-propan-2-ylbenzamide IUPAC Name: N-[3-[(2-amino-3H-benzimidazol-5-yl)amino]-1-(3-ethoxyphenyl)-2-hydroxy-3-oxopropyl]-4-propan-2-ylbenzamide Traditional Name: N-[3-[(2-amino-3H-benzimidazol-5-yl)amino]-2-hydroxy-3-keto-1-m-phenetyl-propyl]-4-isopropyl-benzamide Formula: C28H31N5O4 MolecularWeight: 501.57684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(C(C(=O)NC2=CC3=C(C=C2)N=C(N3)N)O)NC(=O)C4=CC=C(C=C4)C(C)C

Isomeric SMILES

CCOC1=CC=CC(=C1)C(C(C(=O)NC2=CC3=C(C=C2)N=C(N3)N)O)NC(=O)C4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C28H31N5O4/c1-4-37-21-7-5-6-19(14-21)24(33-26(35)18-10-8-17(9-11-18)16(2)3)25(34)27(36)30-20-12-13-22-23(15-20)32-28(29)31-22/h5-16,24-25,34H,4H2,1-3H3,(H,30,36)(H,33,35)(H3,29,31,32)