2-[5-methyl-2-phenyl-3-[(4-pyridin-2-yl-1,4-diazepan-1-yl)carbonyl]indol-1-yl]ethanoic acid

Systemtic Name: 2-[5-methyl-2-phenyl-3-[(4-pyridin-2-yl-1,4-diazepan-1-yl)carbonyl]indol-1-yl]ethanoic acid Openeye Name: 2-[5-methyl-2-phenyl-3-[4-(2-pyridyl)-1,4-diazepane-1-carbonyl]indol-1-yl]acetic acid CAS Name: 2-[5-methyl-3-[oxo-[4-(2-pyridinyl)-1,4-diazepan-1-yl]methyl]-2-phenyl-1-indolyl]acetic acid IUPAC Name: 2-[5-methyl-2-phenyl-3-(4-pyridin-2-yl-1,4-diazepane-1-carbonyl)indol-1-yl]acetic acid Traditional Name: 2-[5-methyl-2-phenyl-3-[4-(2-pyridyl)-1,4-diazepane-1-carbonyl]indol-1-yl]acetic acid Formula: C28H28N4O3 MolecularWeight: 468.54692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2C(=O)N3CCCN(CC3)C4=CC=CC=N4)C5=CC=CC=C5)CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2C(=O)N3CCCN(CC3)C4=CC=CC=N4)C5=CC=CC=C5)CC(=O)O

InChI

InChI=1S/C28H28N4O3/c1-20-11-12-23-22(18-20)26(27(32(23)19-25(33)34)21-8-3-2-4-9-21)28(35)31-15-7-14-30(16-17-31)24-10-5-6-13-29-24/h2-6,8-13,18H,7,14-17,19H2,1H3,(H,33,34)