N-[4-[2-[[4-(azepan-1-yl)pyrimidin-2-yl]-pyrrolidin-2-yl-amino]ethyl]phenyl]ethanamide

Systemtic Name: N-[4-[2-[[4-(azepan-1-yl)pyrimidin-2-yl]-pyrrolidin-2-yl-amino]ethyl]phenyl]ethanamide Openeye Name: N-[4-[2-[[4-(azepan-1-yl)pyrimidin-2-yl]-pyrrolidin-2-yl-amino]ethyl]phenyl]acetamide CAS Name: N-[4-[2-[[4-(1-azepanyl)-2-pyrimidinyl]-(2-pyrrolidinyl)amino]ethyl]phenyl]acetamide IUPAC Name: N-[4-[2-[[4-(azepan-1-yl)pyrimidin-2-yl]-pyrrolidin-2-ylamino]ethyl]phenyl]acetamide Traditional Name: N-[4-[2-[[4-(azepan-1-yl)pyrimidin-2-yl]-pyrrolidin-2-yl-amino]ethyl]phenyl]acetamide Formula: C24H34N6O MolecularWeight: 422.56636

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CCN(C2CCCN2)C3=NC=CC(=N3)N4CCCCCC4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CCN(C2CCCN2)C3=NC=CC(=N3)N4CCCCCC4

InChI

InChI=1S/C24H34N6O/c1-19(31)27-21-10-8-20(9-11-21)13-18-30(22-7-6-14-25-22)24-26-15-12-23(28-24)29-16-4-2-3-5-17-29/h8-12,15,22,25H,2-7,13-14,16-18H2,1H3,(H,27,31)