1,4-diazepan-1-yl-[4-[2-methoxyethyl-[(2-methylphenyl)methyl]amino]-1-pyridin-3-ylcarbonyl-pyrrolidin-2-yl]methanone

Systemtic Name: 1,4-diazepan-1-yl-[4-[2-methoxyethyl-[(2-methylphenyl)methyl]amino]-1-pyridin-3-ylcarbonyl-pyrrolidin-2-yl]methanone Openeye Name: 1,4-diazepan-1-yl-[4-[2-methoxyethyl(o-tolylmethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]methanone CAS Name: 1,4-diazepan-1-yl-[4-[2-methoxyethyl-[(2-methylphenyl)methyl]amino]-1-[oxo(3-pyridinyl)methyl]-2-pyrrolidinyl]methanone IUPAC Name: 1,4-diazepan-1-yl-[4-[2-methoxyethyl-[(2-methylphenyl)methyl]amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]methanone Traditional Name: 1,4-diazepan-1-yl-[4-[2-methoxyethyl-(2-methylbenzyl)amino]-1-nicotinoyl-pyrrolidin-2-yl]methanone Formula: C27H37N5O3 MolecularWeight: 479.61438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(CCOC)C2CC(N(C2)C(=O)C3=CN=CC=C3)C(=O)N4CCCNCC4

Isomeric SMILES

CC1=CC=CC=C1CN(CCOC)C2CC(N(C2)C(=O)C3=CN=CC=C3)C(=O)N4CCCNCC4

InChI

InChI=1S/C27H37N5O3/c1-21-7-3-4-8-23(21)19-31(15-16-35-2)24-17-25(27(34)30-13-6-11-28-12-14-30)32(20-24)26(33)22-9-5-10-29-18-22/h3-5,7-10,18,24-25,28H,6,11-17,19-20H2,1-2H3